D578-0062 Screening compound: 4-tert-butyl-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

D578-0062 Screening compound: 4-tert-butyl-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide
D578-0062 Screening compound: 4-tert-butyl-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0062
4-tert-butyl-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D578-0062

Molecular Formula

C25H31N5O2S (C25 H31 N5 O2 S)

Compound Name

4-tert-butyl-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

IUPAC name

4-tert-butyl-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

SMILES

CC(C)(C)c(cc1)ccc1S(Nc(cc1)ccc1Nc1nc(N2CCCC2)nc(C)c1)(=O)=O

InChI

InChI=1S/C25H31N5O2S/c1-18-17-23(28-24(26-18)30-15-5-6-16-30)27-20-9-11-21(12-10-20)29-33(31,32)22-13-7-19(8-14-22)25(2,3)4/h7-14,17,29H,5-6,15-16H2,1-4H3,(H,26,27,28)

InChI Key

MPHRHHYJWSQMNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.559

Distribution Coefficient, logD

6.233

Water Solubility, LogSw

-5.74

Polar Surface Area

71.491

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

D578-0062 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D578-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0062?
Check Price and Availability of D578-0062, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D578-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0062
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D578-0062 available by request